3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]piperidin-2-one

C14H15Cl2N3O — CID 62093797

IUPAC3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]piperidin-2-one
SMILESCC(Cl)c1nc2cc(Cl)ccc2n1C1CCCNC1=O
InChIInChI=1S/C14H15Cl2N3O/c1-8(15)13-18-10-7-9(16)4-5-11(10)19(13)12-3-2-6-17-14(12)20/h4-5,7-8,12H,2-3,6H2,1H3,(H,17,20)
InChIKeyAZUQZLLEOFIEMD-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.44
Rot. Bonds2

About 3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]piperidin-2-one

3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]piperidin-2-one (PubChem CID 62093797) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]piperidin-2-one.

Molecular Properties

Compound Name3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]piperidin-2-one
PubChem CID62093797
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]piperidin-2-one
SMILESCC(Cl)c1nc2cc(Cl)ccc2n1C1CCCNC1=O
InChIInChI=1S/C14H15Cl2N3O/c1-8(15)13-18-10-7-9(16)4-5-11(10)19(13)12-3-2-6-17-14(12)20/h4-5,7-8,12H,2-3,6H2,1H3,(H,17,20)
InChIKeyAZUQZLLEOFIEMD-UHFFFAOYSA-N
XLogP3.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]piperidin-2-one?
The IUPAC name of 3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]piperidin-2-one (CID 62093797) is 3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]piperidin-2-one.
What is the SMILES notation for 3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]piperidin-2-one?
The canonical SMILES for 3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]piperidin-2-one is CC(Cl)c1nc2cc(Cl)ccc2n1C1CCCNC1=O.
What is the InChIKey of 3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]piperidin-2-one?
The InChIKey is AZUQZLLEOFIEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-8(15)13-18-10-7-9(16)4-5-11(10)19(13)12-3-2-6-17-14(12)20/h4-5,7-8,12H,2-3,6H2,1H3,(H,17,20).
What are the key properties of 3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]piperidin-2-one?
3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]piperidin-2-one has a molecular weight of 312.20 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]piperidin-2-one is sourced from PubChem (CID 62093797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).